SCHEMBL4117066

SCHEMBL4117066

Cc1c(Cc2ccc([S+](C)[O-])c(C(F)(F)F)c2)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1784385 0.84 PTGDR2 (0.71) PTGDR2
SCHEMBL1784437 0.81 PTGDR2 (0.72) PTGDR2
SCHEMBL1782692 0.79 PTGDR2 (0.72) PTGDR2
SCHEMBL24179964 0.78 PTGDR2 (0.64) PTGDR2
SCHEMBL1786637 0.78 PTGDR2 (0.79) PTGDR2
SCHEMBL4761775 0.78 PTGDR2 (0.79) PTGDR2
SCHEMBL1785678 0.77 PTGDR2 (0.74) PTGDR2
SCHEMBL1785801 0.77 PTGDR2 (0.68) PTGDR2
SCHEMBL1598792 0.76 PTGDR2 (1.00) PTGDR2
SCHEMBL1782239 0.76 PTGDR2 (1.00) PTGDR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009063215-A2 USE OF CRTH2 ANTAGONIST COMPOUNDS OXAGEN LIMITED (GB) 2009-05-22 WO disclosed